Molecule

Mecambrine; (±)-form

AlkaPlorer ID: AK305395

Synonym: None

IUPAC Name: 11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one

SMILES: CN1CCC2=CC3=C(OCO3)C3=C2C1CC31C=CC(=O)C=C1

InChI: InChI=1S/C18H17NO3/c1-19-7-4-11-8-14-17(22-10-21-14)16-15(11)13(19)9-18(16)5-2-12(20)3-6-18/h2-3,5-6,8,13H,4,7,9-10H2,1H3

InChIKey: NMVDXQMYKKNYFO-UHFFFAOYSA-N

PubChem CID: 3493169

CAS: 1093-07-8

LOTUS: LTS0226639

COCONUT: CNP0180739.4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Papaver dubium	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Meconopsis cambrica	Meconopsis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 295.338

TPSA？: 38.77

MolLogP？: 2.2809

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi